SCHEMBL25909439

SCHEMBL25909439

INC1CCc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.56
MTNR1A P48039 4/20 0.56
MTNR1B P49286 4/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
SIGMAR1 Q99720 1/20 0.50
PLAU P00749 1/20 0.50
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ANPEP P15144 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL823055 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL4606877 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL459537 0.79 GRIN2B (0.65) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL7838746 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL26515641 0.79 GRIN2B (0.56) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL29599386 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
SCHEMBL823057 0.79 MTNR1A (0.61) GRIN2BMTNR1AMTNR1BCA1CA2
Hydrochloric Acid SCHEMBL7430755 0.78 MTNR1A (0.59) GRIN2BMTNR1AMTNR1BCA1CA2
Bromide SCHEMBL7336860 0.78 MTNR1A (0.59) GRIN2BMTNR1AMTNR1BCA1CA2
Hydrochloric Acid SCHEMBL1026136 0.78 MTNR1A (0.59) GRIN2BMTNR1AMTNR1BCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4218818-A1 ALPHA-2 ADRENERGIC RECEPTOR ANTAGONIST Kyoto University (JP) 2023-08-02 EP disclosed